SMILES:
CCC(NC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1)C(=O)c1noc(C(F)(F)F)n1Molecular Processing
Molecular formula
C22H31F3N4O5
Molecular weight
488.51
Exact mass
488.2247
XLogP
3
TPSA
114.63
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.773
Molar refractivity
112.55
Supplementary Information
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